Structure Database (LMSD)

Common Name
15-hydroxycembra-1,3,7,11-tetraene
Systematic Name
15-hydroxycembra-1,3,7,11-tetraene
Synonyms
LM ID
LMPR01040116
Status
Active
Exact Mass
Calculate m/z
288.245315
Formula
C20H32O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

String Representations

InChiKey (Click to copy)
ZMOGGFHLMLYADA-CAJARFHCSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b16-8+,17-12+,18-11+,19-14+
SMILES (Click to copy)
C1=C(C(O)(C)C)CCC(C)=CCCC(C)=CCCC(C)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sarcophyton trocheliophorum (#205097)
Anthozoa (#6101)
Further new cembranoids from the South China Sea soft coral Sarcophyton trocheliophorum.,
Fitoterapia, 2021
Pubmed ID: 33819542

Other Databases

PubChem CID
11044431

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 340.43
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.16
Molar Refractivity 93.87

Admin

Created at
13th Apr 2021
Updated at
13th Apr 2021